CID 11819534

4-bromo-2-ethyl-1h-imidazole

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CCC1=NC=C(N1)Br
InChI
InChI=1S/C5H7BrN2/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3,(H,7,8)
InChIKey
ABGRZMXSFGWOOF-UHFFFAOYSA-N
Compound name
5-bromo-2-ethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

173.97926 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 127.7
[M+Na]+ 196.96848 140.7
[M-H]- 172.97198 130.6
[M+NH4]+ 192.01308 150.4
[M+K]+ 212.94242 130.0
[M+H-H2O]+ 156.97652 127.6
[M+HCOO]- 218.97746 148.0
[M+CH3COO]- 232.99311 174.4
[M+Na-2H]- 194.95393 135.5
[M]+ 173.97871 145.1
[M]- 173.97981 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe